| SpectraBase Compound ID | 9XJnub77ifR |
|---|---|
| InChI | InChI=1S/C16H27O3P/c1-3-5-15-20(17,18-13-4-2)19-14-9-12-16-10-7-6-8-11-16/h6-8,10-11H,3-5,9,12-15H2,1-2H3 |
| InChIKey | LQAJVESVTDWFCG-UHFFFAOYSA-N |
| Mol Weight | 298.36 g/mol |
| Molecular Formula | C16H27O3P |
| Exact Mass | 298.169782 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HyOYDDHAe3h |
|---|---|
| Name | Butylphosphonic acid, 3-phenylpropyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.169781724 u |
| Formula | C16H27O3P |
| InChI | InChI=1S/C16H27O3P/c1-3-5-15-20(17,18-13-4-2)19-14-9-12-16-10-7-6-8-11-16/h6-8,10-11H,3-5,9,12-15H2,1-2H3 |
| InChIKey | LQAJVESVTDWFCG-UHFFFAOYSA-N |
| Molecular Weight | 298.363 g/mol |
| SMILES | C(CCOP(CCCC)(OCCC)=O)C1=CC=CC=C1 |